SCHEMBL3561649

SCHEMBL3561649

COc1ccc(S(=O)(=O)Nc2ccccc2CCc2cccc(C(=O)O)c2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.73
HTT P42858 1/20 0.57
ACLY P53396 1/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3552935 0.94 SLC16A3 (0.68) SLC16A3HTTACLYALDH1A1SMN1; SMN2
SCHEMBL3556284 0.90 SLC16A3 (0.70) SLC16A3HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL3561105 0.88 SLC16A3 (0.76) SLC16A3ALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL3561994 0.87 SLC16A3 (0.73) SLC16A3ACLYKEAP1NFE2L2RAB9A
SCHEMBL3561138 0.86 SMN1; SMN2 (0.59) SLC16A3ALDH1A1SMN1; SMN2LMNAKEAP1
SCHEMBL3553801 0.85 HTT (0.61) SLC16A3HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL3565044 0.85 SLC16A3 (0.85) SLC16A3MEN1KMT2ARAB9A
SCHEMBL3552744 0.85 SLC16A3 (0.85) SLC16A3MEN1KMT2ARAB9A
SCHEMBL3563323 0.85 HTT (0.62) SLC16A3HTTALDH1A1SMN1; SMN2LMNA
SCHEMBL3558727 0.84 SLC16A3 (0.76) SLC16A3HTTALDH1A1SMN1; SMN2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885HTT 3739/4885ACLY 586/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.